Difference between revisions of "Anas2mat.m"

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{{DISPLAYTITLE:anas2mat.m}} __NOTOC__
 
{{DISPLAYTITLE:anas2mat.m}} __NOTOC__
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Converts anisotropy and asymmatry representation of a 3x3 interaction tensor into the corresponding matrix.
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Converts the isotropic part, anisotropy, asymmetry, and Euler angles of a 3x3 interaction tensor, in the Haeberlen-Mehring convention, into the corresponding matrix; although this representation is still common in the literature, reporting the original matrix is usually clearer.
  
 
==Syntax==
 
==Syntax==
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     M=anas2mat(iso,an,as,alp,bet,gam)
 
     M=anas2mat(iso,an,as,alp,bet,gam)
  
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==Description==
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==Parameters==
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Isotropic part, anisotropy, and asymmetry are often seen in the literature. It is not a good way of reporting an interaction tensor (the original matrix is best), but it is still being used.
 
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==Arguments==
 
  
 
         iso  - isotropic part of the interaction, defined as
 
         iso  - isotropic part of the interaction, defined as
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==See also==
 
==See also==
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[[eeqq2nqi.m]], [[castep2nqi.m]], [[euler2dcm.m]], [[xyz2dd.m]], [[spsk2mat.m]], [[axrh2mat.m]]
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[[eeqq2nqi.m]], [[castep2nqi.m]], [[euler2dcm.m]], [[xyz2dd.m]], [[spsk2mat.m]], [[axrh2mat.m]], [[ang2cgsppm.m]], [[cgsppm2ang.m]], [[conmat.m]], [[dictum.m]], [[dihedral.m]], [[frac2cart.m]], [[g2freq.m]], [[gauss2mhz.m]], [[ham2nqi.m]], [[hartree2joule.m]], [[hz2icm.m]], [[hz2ppm.m]], [[ias2mat.m]], [[mat2axrh.m]], [[mat2ias.m]], [[mhz2gauss.m]], [[mt2hz.m]], [[offsetof.m]], [[ppm2hz.m]], [[tsm2param.m]], [[zfs2mat.m]], [[Kernel_utilities]]
  
 
''Version 2.1, authors: [[Ilya Kuprov]]''
 
''Version 2.1, authors: [[Ilya Kuprov]]''

Latest revision as of 19:34, 6 June 2026

Converts the isotropic part, anisotropy, asymmetry, and Euler angles of a 3x3 interaction tensor, in the Haeberlen-Mehring convention, into the corresponding matrix; although this representation is still common in the literature, reporting the original matrix is usually clearer.

Syntax

    M=anas2mat(iso,an,as,alp,bet,gam)

Parameters

       iso  - isotropic part of the interaction, defined as
              (xx+yy+zz)/3 in terms of eigenvaues

        an  - interaction anisotropy, defined as zz-(xx+yy)/2
              in terms of eigenvalues

        as  - interaction asymmetry, defined as (yy-xx)/(zz-iso)
              in terms of eigenvalues

       alp  - alpha Euler angle in radians

       bet  - beta Euler angle in radians

       gam  - gamma Euler angle in radians

Outputs

    M  - 3x3 matrix

Notes

The reverse transformation (from matrix into anisotropy, asymmetry, and angles) is ill-defined.

See also

eeqq2nqi.m, castep2nqi.m, euler2dcm.m, xyz2dd.m, spsk2mat.m, axrh2mat.m, ang2cgsppm.m, cgsppm2ang.m, conmat.m, dictum.m, dihedral.m, frac2cart.m, g2freq.m, gauss2mhz.m, ham2nqi.m, hartree2joule.m, hz2icm.m, hz2ppm.m, ias2mat.m, mat2axrh.m, mat2ias.m, mhz2gauss.m, mt2hz.m, offsetof.m, ppm2hz.m, tsm2param.m, zfs2mat.m, Kernel_utilities

Version 2.1, authors: Ilya Kuprov